4N57
 
 | | Crystal structure of aminoglycoside phosphotransferase APH(2'')-IVa ADP complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, APH(2'')-Id, MAGNESIUM ION | | Authors: | Kaplan, E, Leban, N, Chaloin, L, Guichou, J.-F, Lionne, C. | | Deposit date: | 2013-10-09 | | Release date: | 2014-12-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of aminoglycoside phosphotransferase APH(2'')-IVa ADP complex
To be Published
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4QT2
 | | Crystal Structure of the FK506-Binding Domain of Plasmodium Falciparum FKBP35 in complex with Rapamycin | | Descriptor: | FK506-binding protein (FKBP)-type peptidyl-propyl isomerase, IMIDAZOLE, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | | Authors: | Bianchin, A, Allemand, F, Bell, A, Chubb, A.J, Guichou, J.-F. | | Deposit date: | 2014-07-07 | | Release date: | 2015-06-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Two crystal structures of the FK506-binding domain of Plasmodium falciparum FKBP35 in complex with rapamycin at high resolution
Acta Crystallogr.,Sect.D, 71, 2015
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4QT3
 | | Crystal structure resolution of Plasmodium falciparum FK506 binding domain (FKBP35) in complex with Rapamycin at 1.4A resolution | | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, FK506-binding protein (FKBP)-type peptidyl-propyl isomerase, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | | Authors: | Bianchin, A, Allemand, F, Bell, A, Chubb, A.J, Guichou, J.-F. | | Deposit date: | 2014-07-07 | | Release date: | 2015-06-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Two crystal structures of the FK506-binding domain of Plasmodium falciparum FKBP35 in complex with rapamycin at high resolution
Acta Crystallogr.,Sect.D, 71, 2015
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1T6F
 | | Crystal Structure of the Coiled-coil Dimerization Motif of Geminin | | Descriptor: | Geminin | | Authors: | Thepaut, M, Maiorano, D, Guichou, J.-F, Auge, M.-T, Dumas, C, Mechali, M, Padilla, A. | | Deposit date: | 2004-05-06 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Crystal Structure of the Coiled-coil Dimerization Motif of Geminin: Structural and Functional Insights on DNA Replication Regulation
J.Mol.Biol., 342, 2004
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7Z9V
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 1,4-Anhydroerythritol | | Descriptor: | (3~{S},4~{R})-oxolane-3,4-diol, Cholinephosphate cytidylyltransferase, Guanidinium | | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
To Be Published
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3R2J
 | | Crystal Structure of PnC1 from L. infantum in complex with nicotinate | | Descriptor: | Alpha/beta-hydrolase-like protein, CHLORIDE ION, NICOTINIC ACID, ... | | Authors: | Gazanion, E, Garcia, D, Guichou, J.-F, Labesse, G, Sereno, D, Vergnes, B. | | Deposit date: | 2011-03-14 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | The Leishmania nicotinamidase is essential for NAD(+) production and parasite proliferation.
Mol.Microbiol., 82, 2011
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3QYU
 | | Crystal structure of human cyclophilin D at 1.54 A resolution at room temperature | | Descriptor: | Peptidyl-prolyl cis-trans isomerase F | | Authors: | Colliandre, L, Gelin, M, Labesse, G, Guichou, J.-F. | | Deposit date: | 2011-03-04 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | In-plate protein crystallization, in situ ligand soaking and X-ray diffraction.
Acta Crystallogr.,Sect.D, 67, 2011
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3QYZ
 | | Crystal structure of ERK2 in complex with an inhibitor | | Descriptor: | 5'-azido-8-bromo-5'-deoxyadenosine, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ... | | Authors: | Gelin, M, Pochet, S, Hoh, F, Pirochi, M, Guichou, J.-F, Ferrer, J.-L, Labesse, G. | | Deposit date: | 2011-03-04 | | Release date: | 2011-08-24 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | In-plate protein crystallization, in situ ligand soaking and X-ray diffraction.
Acta Crystallogr.,Sect.D, 67, 2011
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3QYW
 | | Crystal structure of ERK2 in complex with an inhibitor | | Descriptor: | 6-(3-bromophenyl)-7H-purin-2-amine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | Authors: | Gelin, M, Pochet, S, Hoh, F, Pirochi, M, Guichou, J.-F, Ferrer, J.-L, Labesse, G. | | Deposit date: | 2011-03-04 | | Release date: | 2011-08-24 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | In-plate protein crystallization, in situ ligand soaking and X-ray diffraction.
Acta Crystallogr.,Sect.D, 67, 2011
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4XLD
 | | Crystal structure of the human PPARg-LBD/rosiglitazone complex obtained by dry co-crystallization and in situ diffraction | | Descriptor: | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), FORMIC ACID, ... | | Authors: | Delfosse, V, Guichou, J.-F. | | Deposit date: | 2015-01-13 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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4ZCQ
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase in complex with choline | | Descriptor: | CHOLINE ION, Cholinephosphate cytidylyltransferase | | Authors: | Guca, E, Hoh, F, Guichou, J.-F, Cerdan, R. | | Deposit date: | 2015-04-16 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural determinants of the catalytic mechanism of Plasmodium CCT, a key enzyme of malaria lipid biosynthesis.
Sci Rep, 8, 2018
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4ZCP
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase in complex with CMP | | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, Cholinephosphate cytidylyltransferase | | Authors: | Guca, E, Hoh, F, Guichou, J.-F, Cerdan, R. | | Deposit date: | 2015-04-16 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural determinants of the catalytic mechanism of Plasmodium CCT, a key enzyme of malaria lipid biosynthesis.
Sci Rep, 8, 2018
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4ZCR
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase in complex with phosphocholine | | Descriptor: | Cholinephosphate cytidylyltransferase, PHOSPHOCHOLINE | | Authors: | Guca, E, Hoh, F, Guichou, J.-F, Cerdan, R. | | Deposit date: | 2015-04-16 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural determinants of the catalytic mechanism of Plasmodium CCT, a key enzyme of malaria lipid biosynthesis.
Sci Rep, 8, 2018
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4ZCS
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase in complex with CDP-choline | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Choline-phosphate cytidylyltransferase, [2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM | | Authors: | Guca, E, Hoh, F, Guichou, J.-F, Cerdan, R. | | Deposit date: | 2015-04-16 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural determinants of the catalytic mechanism of Plasmodium CCT, a key enzyme of malaria lipid biosynthesis.
Sci Rep, 8, 2018
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4ZCT
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase | | Descriptor: | Cholinephosphate cytidylyltransferase | | Authors: | Guca, E, Hoh, F, Guichou, J.-F, Cerdan, R. | | Deposit date: | 2015-04-16 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structural determinants of the catalytic mechanism of Plasmodium CCT, a key enzyme of malaria lipid biosynthesis.
Sci Rep, 8, 2018
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4ZSD
 | | Human Cyclophilin D Complexed with an Inhibitor at room temperature | | Descriptor: | 1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | | Authors: | Gelin, M, Delfosse, V, Allemand, F, Hoh, F, Sallaz-Damaz, Y, Pirocchi, M, Bourguet, W, Ferrer, J.-L, Labesse, G, Guichou, J.-F. | | Deposit date: | 2015-05-13 | | Release date: | 2015-08-12 | | Last modified: | 2015-08-19 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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4ZSC
 | | Human Cyclophilin D Complexed with an Inhibitor at room temperature | | Descriptor: | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate | | Authors: | Gelin, M, Delfosse, V, Allemand, F, Hoh, F, Sallaz-Damaz, Y, Pirocchi, M, Bourguet, W, Ferrer, J.-L, Labesse, G, Guichou, J.-F. | | Deposit date: | 2015-05-13 | | Release date: | 2015-08-12 | | Last modified: | 2015-08-19 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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7PVF
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-hydroxy-1lambda6-thietane-1,1-dione | | Descriptor: | 1,1-bis(oxidanylidene)thietan-3-ol, Cholinephosphate cytidylyltransferase, Guanidinium | | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | Deposit date: | 2021-10-02 | | Release date: | 2022-10-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
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7PYA
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-Hydroxyazetidine hydrochloride | | Descriptor: | Cholinephosphate cytidylyltransferase, azetidin-3-ol | | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | Deposit date: | 2021-10-09 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
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7PUI
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-pyridineboronic acid | | Descriptor: | Cholinephosphate cytidylyltransferase, pyridin-2-ylboronic acid | | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | Deposit date: | 2021-09-30 | | Release date: | 2022-10-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
To Be Published
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7PVE
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 4-bromo-1H-imidazole | | Descriptor: | 4-bromo-1H-imidazole, Cholinephosphate cytidylyltransferase | | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | Deposit date: | 2021-10-02 | | Release date: | 2022-10-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
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7PVG
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with isonicotinic acid | | Descriptor: | Cholinephosphate cytidylyltransferase, pyridine-4-carboxylic acid | | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | Deposit date: | 2021-10-02 | | Release date: | 2022-10-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
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7PY9
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with (pyrrolidin-2-yl)methanol | | Descriptor: | Cholinephosphate cytidylyltransferase, D-Prolinol | | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | Deposit date: | 2021-10-09 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
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7PYC
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-Aminopyridine | | Descriptor: | 2-AMINOPYRIDINE, Cholinephosphate cytidylyltransferase, Guanidinium | | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | Deposit date: | 2021-10-09 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
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7PYB
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-Hydroxypyridine | | Descriptor: | 1~{H}-pyridin-2-one, Cholinephosphate cytidylyltransferase, Guanidinium | | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | Deposit date: | 2021-10-09 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
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